5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C24H28F3N9O — CID 89450275

IUPAC5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2C=NOC2)CC1
InChIInChI=1S/C24H28F3N9O/c1-29-6-9-36-12-18(16-2-5-30-19(10-16)24(25,26)27)34-22(36)15-3-7-35(8-4-15)23-20(17-11-33-37-13-17)21(28)31-14-32-23/h2,5,10-12,14-15,17,29H,3-4,6-9,13H2,1H3,(H2,28,31,32)
InChIKeyVIWNTZJRUNRPFK-UHFFFAOYSA-N
MW515.54 g/mol
LogP3.04
Rot. Bonds7

About 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89450275) has the molecular formula C24H28F3N9O and a molecular weight of 515.54 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89450275
Molecular FormulaC24H28F3N9O
Molecular Weight515.54 g/mol
Exact Mass515.24
IUPAC Name5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2C=NOC2)CC1
InChIInChI=1S/C24H28F3N9O/c1-29-6-9-36-12-18(16-2-5-30-19(10-16)24(25,26)27)34-22(36)15-3-7-35(8-4-15)23-20(17-11-33-37-13-17)21(28)31-14-32-23/h2,5,10-12,14-15,17,29H,3-4,6-9,13H2,1H3,(H2,28,31,32)
InChIKeyVIWNTZJRUNRPFK-UHFFFAOYSA-N
XLogP3.04
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 89450275) is 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2C=NOC2)CC1.
What is the InChIKey of 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is VIWNTZJRUNRPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N9O/c1-29-6-9-36-12-18(16-2-5-30-19(10-16)24(25,26)27)34-22(36)15-3-7-35(8-4-15)23-20(17-11-33-37-13-17)21(28)31-14-32-23/h2,5,10-12,14-15,17,29H,3-4,6-9,13H2,1H3,(H2,28,31,32).
What are the key properties of 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 515.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,2-oxazol-4-yl)-6-[4-[1-[2-(methylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89450275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).